D3+ rovibrational levels and spectra for the adiabatic 1 1A′ and 1 3A′ electronic states

Abstract

Rovibrational states of D₃⁺ for the 1 ¹A′ ground singlet and first triplet 1 ³A′ electronic states are computed using previously reported accurate global potential energy surfaces. The differences with respect to experimental transition frequencies obtained for D₃⁺ (¹A′) are, in general, smaller than those obtained for H₃⁺ (¹A′), what allows to determine an upper limit of the error of the potential energy surface, independently of adiabatic corrections. For the 1 ³A′, which has three degenerate minima at collinear configuration, the tunneling splittings are evaluated and compared with those obtained for the lighter H₃⁺ isotopomer.